2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

C18H24ClN3OS — CID 119446088

IUPAC2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1ccc2ccccc2c1)NCCN1CCNCC1
InChIInChI=1S/C18H23N3OS.ClH/c22-18(20-9-12-21-10-7-19-8-11-21)14-23-17-6-5-15-3-1-2-4-16(15)13-17;/h1-6,13,19H,7-12,14H2,(H,20,22);1H
InChIKeyYMFCFAFDTAQTCY-UHFFFAOYSA-N
MW365.93 g/mol
LogP2.38
Rot. Bonds6

About 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119446088) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119446088
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1ccc2ccccc2c1)NCCN1CCNCC1
InChIInChI=1S/C18H23N3OS.ClH/c22-18(20-9-12-21-10-7-19-8-11-21)14-23-17-6-5-15-3-1-2-4-16(15)13-17;/h1-6,13,19H,7-12,14H2,(H,20,22);1H
InChIKeyYMFCFAFDTAQTCY-UHFFFAOYSA-N
XLogP2.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2634687
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride
CID 119445325
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 119235112
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448902
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119446088) is 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is Cl.O=C(CSc1ccc2ccccc2c1)NCCN1CCNCC1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is YMFCFAFDTAQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.ClH/c22-18(20-9-12-21-10-7-19-8-11-21)14-23-17-6-5-15-3-1-2-4-16(15)13-17;/h1-6,13,19H,7-12,14H2,(H,20,22);1H.
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 365.93 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119446088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).